3-phenyl-4-phenylsulfanyl-oxepan-2-one

Systemtic Name: 3-phenyl-4-phenylsulfanyl-oxepan-2-one Openeye Name: 3-phenyl-4-phenylsulfanyl-oxepan-2-one CAS Name: 3-phenyl-4-(phenylthio)-2-oxepanone IUPAC Name: 3-phenyl-4-phenylsulfanyloxepan-2-one Traditional Name: 3-phenyl-4-(phenylthio)oxepan-2-one Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(=O)OC1)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CC(C(C(=O)OC1)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H18O2S/c19-18-17(14-8-3-1-4-9-14)16(12-7-13-20-18)21-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2